(5Z)-1-methyl-5-[3-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-thiophen-2-ylidene]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: (5Z)-1-methyl-5-[3-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-thiophen-2-ylidene]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: (5Z)-1-methyl-5-[3-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-2-thienylidene]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: (5Z)-1-methyl-5-[3-oxo-4-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]-2-thiophenylidene]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: (5Z)-1-methyl-5-[3-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylthiophen-2-ylidene]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: (5Z)-5-[3-keto-4-[4-(2-pyrimidyl)piperazino]sulfonyl-2-thienylidene]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C21H24N8O4S2 MolecularWeight: 516.59646

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=C3C(=O)C(=CS3)S(=O)(=O)N4CCN(CC4)C5=NC=CC=N5)NC2=O)C

Isomeric SMILES

CCCC1=NN(C2=C1N/C(=C/3\C(=O)C(=CS3)S(=O)(=O)N4CCN(CC4)C5=NC=CC=N5)/NC2=O)C

InChI

InChI=1S/C21H24N8O4S2/c1-3-5-13-15-16(27(2)26-13)20(31)25-19(24-15)18-17(30)14(12-34-18)35(32,33)29-10-8-28(9-11-29)21-22-6-4-7-23-21/h4,6-7,12,24H,3,5,8-11H2,1-2H3,(H,25,31)/b19-18-